2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine

C13H24N2O — CID 115136377

IUPAC2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNCC(C)(C)N)o1
InChIInChI=1S/C13H24N2O/c1-10-6-7-11(16-10)12(2,3)8-15-9-13(4,5)14/h6-7,15H,8-9,14H2,1-5H3
InChIKeyYJQWNYOZLMIWJB-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.19
Rot. Bonds5

About 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine

2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine (PubChem CID 115136377) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
PubChem CID115136377
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNCC(C)(C)N)o1
InChIInChI=1S/C13H24N2O/c1-10-6-7-11(16-10)12(2,3)8-15-9-13(4,5)14/h6-7,15H,8-9,14H2,1-5H3
InChIKeyYJQWNYOZLMIWJB-UHFFFAOYSA-N
XLogP2.19
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
CID 115131576
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
CID 115133777
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
4-methyl-4-(5-methylfuran-2-yl)pentanoic acid
CID 14357302
2-methoxy-2-(5-methylfuran-2-yl)propan-1-amine
CID 83827113
N-methyl-2-(5-methylfuran-2-yl)propan-2-amine
CID 83681997
tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
CID 143958785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine (CID 115136377) is 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine is Cc1ccc(C(C)(C)CNCC(C)(C)N)o1.
What is the InChIKey of 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine?
The InChIKey is YJQWNYOZLMIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-6-7-11(16-10)12(2,3)8-15-9-13(4,5)14/h6-7,15H,8-9,14H2,1-5H3.
What are the key properties of 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine?
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 115136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).